def compute_dimensionless_ch_params_from_polymer_params(
X, N, L_omega, L_kuhn, m):
eps_2 = ch.CHparamsVector().compute_eps2_from_polymer_params(
X, m, L_kuhn, L_omega, N)
sigma = ch.CHparamsVector().compute_sigma_from_polymer_params(
X, m, L_kuhn, L_omega, N)
return eps_2, sigma
def setup_chparams(info: ch.SimInfo, p: Dict[str, float]) -> ch.CHparamsVector:
"""
inputs:
info : instance of ch.SimInfo
p : dict of mc material parameters, e.g. produced by MaterialParamsUniformDistribution::draw()
"""
eps_2, sigma = compute_dimensionless_ch_params_from_polymer_params(
X=p['X'], N=p['N'], L_omega=p['L_omega'], L_kuhn=p['L_kuhn'], m=p['m'])
chparams = ch.CHparamsVector(int(info.nx), int(info.ny))
nx = int(info.nx)
xx, yy = np.meshgrid(np.arange(0, 1, 1 / info.nx),
np.arange(0, 1, 1 / info.nx))
chparams.eps_2 = ch.DoubleVector(eps_2 * np.ones(nx**2))
chparams.sigma = ch.DoubleVector(sigma * np.ones(nx**2))
chparams.m = ch.DoubleVector(p['m'] * np.ones(nx**2))
return chparams
info = ch.SimInfo()
info.t0 = 0.0
info.nx = 128
info.ny = 128
info.dx = 1. / info.nx
info.dy = 1. / info.ny
info.bc = 'neumann'
info.rhs_type = 'ch_thermal_no_diffusion'
# Set up grid for spatial-field quantities
nx = int(info.nx)
xx, yy = np.meshgrid(np.arange(0, 1, 1 / info.nx),
np.arange(0, 1, 1 / info.nx))
# Setup CH parameter info object
chparams = ch.CHparamsVector(info.nx, info.ny)
chparams.b = ch.DoubleVector(1.0 * np.ones(nx**2))
chparams.u = ch.DoubleVector(1.0 * np.ones(nx**2))
chparams.m = ch.DoubleVector(0.0 * np.ones(nx**2))
chparams.sigma_noise = 0.0
chparams.eps2_min = 0.0
chparams.eps2_max = 1.0
chparams.sigma_min = 0.0
chparams.sigma_max = 1.0e10
chparams.T_min = 0.1
chparams.T_max = 1.0
chparams.T_const = ch.DoubleVector(chparams.T_max * np.ones(nx**2))
chparams.L_kuhn = L_kuhn
chparams.N = N
chparams.L_omega = L_omega
chparams.X_min = Xmin
import numpy as np import matplotlib.pyplot as plt from scipy import misc import cahnhilliard as ch chparams = ch.CHparamsVector() info = ch.SimInfo() # *********** INPUTS *********** info.t0 = 0.0 info.nx = 128 info.ny = 128 info.dx = 1. / info.nx info.dy = 1. / info.ny info.bc = 'periodic' info.BC_dirichlet_ch = 1.0 nx_ref = 128 dx_ref = 1. / nx_ref eps_2 = 0.01**2 sigma = eps_2 / dx_ref**4 / 200. b = eps_2 / dx_ref**2 u = eps_2 / dx_ref**2 m = 0.0 sigma_noise = 0.0 DT = 0.1 * eps_2 / dx_ref**2 # Set up grid for spatial-field quantities nx = int(info.nx) xx, yy = np.meshgrid(np.arange(0, 1, 1 / info.nx),
def convert_temperature_to_flory_huggins(T, Tmin, Tmax, Xmin, Xmax):
assert ((T > 1e-5) & (Tmin > 1e-5))
return ch.CHparamsVector().convert_temperature_to_flory_huggins(
T, Tmin, Tmax, Xmin, Xmax)
